Fumaricine
AlkaPlorer ID: AK008019
Synonym: '', 'Fumaricine'
IUPAC Name: (1R,8'R)-6,7-dimethoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]-8'-ol
Structure
SMILES: COC1=CC2=C(C=C1OC)[C@@]1(CC3=CC=C4OCOC4=C3[C@H]1O)N(C)CC2
InChI: InChI=1S/C21H23NO5/c1-22-7-6-12-8-16(24-2)17(25-3)9-14(12)21(22)10-13-4-5-15-19(27-11-26-15)18(13)20(21)23/h4-5,8-9,20,23H,6-7,10-11H2,1-3H3/t20-,21-/m1/s1
InChIKey: QDNMFIYGVRUVCE-NHCUHLMSSA-N
Reference
Alkaloids of fumariaceous plants. LVII. Miscellaneous observations
PubChem CID: 12309931
LOTUS: LTS0172941
SuperNatural Ⅲ: SN0302440-03
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Fumaria officinalis | Fumaria | Papaveraceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 369.41700000000014
TPSA？: 60.39000000000001
MolLogP？: 2.4054
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|